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Compile Data Set for Download or QSAR

Found 80 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha2' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50446804
PNG
(CHEMBL3115061)
Show SMILES OC(=O)[C@@H]1Cc2cn(C\C=C\COc3ccc(Cl)c(c3)C(=O)N1)cn2
Show InChI InChI=1S/C17H16ClN3O4/c18-14-4-3-12-8-13(14)16(22)20-15(17(23)24)7-11-9-21(10-19-11)5-1-2-6-25-12/h1-4,8-10,15H,5-7H2,(H,20,22)(H,23,24)/b2-1+/t15-/m0/s1
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Article
n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50446821
PNG
(CHEMBL3115056)
Show SMILES OC(=O)[C@@H]1Cc2cn(C\C=C\COc3ccc(Cl)c(c3)C(=O)N1)c1ccccc21
Show InChI InChI=1S/C22H19ClN2O4/c23-18-8-7-15-12-17(18)21(26)24-19(22(27)28)11-14-13-25(9-3-4-10-29-15)20-6-2-1-5-16(14)20/h1-8,12-13,19H,9-11H2,(H,24,26)(H,27,28)/b4-3+/t19-/m0/s1
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19053
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H26N4O6S/c27-20(19-12-7-13-26(19)33(31,32)17-10-5-2-6-11-17)25-18(21(28)29)15-24-22(30)23-14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,25,27)(H,28,29)(H2,23,24,30)/t18-,19?/m0/s1
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n/an/a 15n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19066
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C22H24Cl2N4O6S/c23-15-9-16(24)11-17(10-15)35(33,34)28-8-4-7-19(28)20(29)27-18(21(30)31)13-26-22(32)25-12-14-5-2-1-3-6-14/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t18-,19-/m0/s1
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n/an/a 17n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19057
PNG
((2S)-3-({[(4-aminophenyl)methyl]carbamoyl}amino)-2...)
Show SMILES Nc1ccc(CNC(=O)NC[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C22H27N5O6S/c23-16-10-8-15(9-11-16)13-24-22(31)25-14-18(21(29)30)26-20(28)19-7-4-12-27(19)34(32,33)17-5-2-1-3-6-17/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19?/m0/s1
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n/an/a 23n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19063
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H30N4O6S/c1-16-11-17(2)13-19(12-16)35(33,34)28-10-6-9-21(28)22(29)27-20(23(30)31)15-26-24(32)25-14-18-7-4-3-5-8-18/h3-5,7-8,11-13,20-21H,6,9-10,14-15H2,1-2H3,(H,27,29)(H,30,31)(H2,25,26,32)/t20-,21-/m0/s1
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n/an/a 29n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50446818
PNG
(CHEMBL3115059)
Show SMILES OC(=O)[C@@H]1Cc2cn(C\C=C\COc3ccc(Cl)c(c3)C(=O)N1)nn2
Show InChI InChI=1S/C16H15ClN4O4/c17-13-4-3-11-8-12(13)15(22)18-14(16(23)24)7-10-9-21(20-19-10)5-1-2-6-25-11/h1-4,8-9,14H,5-7H2,(H,18,22)(H,23,24)/b2-1+/t14-/m0/s1
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n/an/a 34n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19065
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H24F2N4O6S/c23-15-9-16(24)11-17(10-15)35(33,34)28-8-4-7-19(28)20(29)27-18(21(30)31)13-26-22(32)25-12-14-5-2-1-3-6-14/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t18-,19-/m0/s1
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n/an/a 35n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50446811
PNG
(CHEMBL3115067)
Show SMILES OC(=O)[C@@H]1Cc2cn(C\C=C\COc3ccc(Cl)c(n3)C(=O)N1)cn2
Show InChI InChI=1S/C16H15ClN4O4/c17-11-3-4-13-20-14(11)15(22)19-12(16(23)24)7-10-8-21(9-18-10)5-1-2-6-25-13/h1-4,8-9,12H,5-7H2,(H,19,22)(H,23,24)/b2-1+/t12-/m0/s1
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n/an/a 36n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19070
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(4-met...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H28N4O6S/c1-16-9-11-18(12-10-16)34(32,33)27-13-5-8-20(27)21(28)26-19(22(29)30)15-25-23(31)24-14-17-6-3-2-4-7-17/h2-4,6-7,9-12,19-20H,5,8,13-15H2,1H3,(H,26,28)(H,29,30)(H2,24,25,31)/t19-,20-/m0/s1
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n/an/a 36n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50446820
PNG
(CHEMBL3115057)
Show SMILES OC(=O)[C@@H]1Cn2cc(C\C=C\COc3ccc(Cl)c(c3)C(=O)N1)nn2
Show InChI InChI=1S/C16H15ClN4O4/c17-13-5-4-11-7-12(13)15(22)18-14(16(23)24)9-21-8-10(19-20-21)3-1-2-6-25-11/h1-2,4-5,7-8,14H,3,6,9H2,(H,18,22)(H,23,24)/b2-1+/t14-/m0/s1
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n/an/a 38n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19064
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-{[3,5-b...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H24F6N4O6S/c25-23(26,27)15-9-16(24(28,29)30)11-17(10-15)41(39,40)34-8-4-7-19(34)20(35)33-18(21(36)37)13-32-22(38)31-12-14-5-2-1-3-6-14/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2,(H,33,35)(H,36,37)(H2,31,32,38)/t18-,19-/m0/s1
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PubMed
n/an/a 39n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19068
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-(naphth...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H28N4O6S/c31-24(29-22(25(32)33)17-28-26(34)27-16-18-7-2-1-3-8-18)23-11-6-14-30(23)37(35,36)21-13-12-19-9-4-5-10-20(19)15-21/h1-5,7-10,12-13,15,22-23H,6,11,14,16-17H2,(H,29,31)(H,32,33)(H2,27,28,34)/t22-,23-/m0/s1
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PubMed
n/an/a 50n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19071
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(4-met...)
Show SMILES CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H28N4O8S2/c1-36(32,33)17-9-11-18(12-10-17)37(34,35)27-13-5-8-20(27)21(28)26-19(22(29)30)15-25-23(31)24-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,19-20H,5,8,13-15H2,1H3,(H,26,28)(H,29,30)(H2,24,25,31)/t19-,20-/m0/s1
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n/an/a 70n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19066
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C22H24Cl2N4O6S/c23-15-9-16(24)11-17(10-15)35(33,34)28-8-4-7-19(28)20(29)27-18(21(30)31)13-26-22(32)25-12-14-5-2-1-3-6-14/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t18-,19-/m0/s1
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n/an/a 83n/an/an/an/a7.437



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19063
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H30N4O6S/c1-16-11-17(2)13-19(12-16)35(33,34)28-10-6-9-21(28)22(29)27-20(23(30)31)15-26-24(32)25-14-18-7-4-3-5-8-18/h3-5,7-8,11-13,20-21H,6,9-10,14-15H2,1-2H3,(H,27,29)(H,30,31)(H2,25,26,32)/t20-,21-/m0/s1
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PubMed
n/an/a 89n/an/an/an/a7.437



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50446837
PNG
(CHEMBL3114869)
Show SMILES OC(=O)[C@@H]1Cc2ccc(OC\C=C\COc3ccc(Cl)c(c3)C(=O)N1)cc2
Show InChI InChI=1S/C20H18ClNO5/c21-17-8-7-15-12-16(17)19(23)22-18(20(24)25)11-13-3-5-14(6-4-13)26-9-1-2-10-27-15/h1-8,12,18H,9-11H2,(H,22,23)(H,24,25)/b2-1+/t18-/m0/s1
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n/an/a 101n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19057
PNG
((2S)-3-({[(4-aminophenyl)methyl]carbamoyl}amino)-2...)
Show SMILES Nc1ccc(CNC(=O)NC[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C22H27N5O6S/c23-16-10-8-15(9-11-16)13-24-22(31)25-14-18(21(29)30)26-20(28)19-7-4-12-27(19)34(32,33)17-5-2-1-3-6-17/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19?/m0/s1
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PubMed
n/an/a 102n/an/an/an/a7.437



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19072
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(4-nit...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H25N5O8S/c28-20(25-18(21(29)30)14-24-22(31)23-13-15-5-2-1-3-6-15)19-7-4-12-26(19)36(34,35)17-10-8-16(9-11-17)27(32)33/h1-3,5-6,8-11,18-19H,4,7,12-14H2,(H,25,28)(H,29,30)(H2,23,24,31)/t18-,19-/m0/s1
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n/an/a 105n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50446838
PNG
(CHEMBL3114868)
Show SMILES OC(=O)[C@@H]1Cc2ccc(OCCCCOc3cccc(Cl)c3C(=O)N1)cc2
Show InChI InChI=1S/C20H20ClNO5/c21-15-4-3-5-17-18(15)19(23)22-16(20(24)25)12-13-6-8-14(9-7-13)26-10-1-2-11-27-17/h3-9,16H,1-2,10-12H2,(H,22,23)(H,24,25)/t16-/m0/s1
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n/an/a 106n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19058
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1Cl)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H25ClN4O6S/c23-17-10-5-4-7-15(17)13-24-22(31)25-14-18(21(29)30)26-20(28)19-11-6-12-27(19)34(32,33)16-8-2-1-3-9-16/h1-5,7-10,18-19H,6,11-14H2,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19?/m0/s1
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n/an/a 107n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19061
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES COc1ccc(CNC(=O)NC[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C23H28N4O7S/c1-34-17-11-9-16(10-12-17)14-24-23(31)25-15-19(22(29)30)26-21(28)20-8-5-13-27(20)35(32,33)18-6-3-2-4-7-18/h2-4,6-7,9-12,19-20H,5,8,13-15H2,1H3,(H,26,28)(H,29,30)(H2,24,25,31)/t19-,20?/m0/s1
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n/an/a 108n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50446845
PNG
(CHEMBL3114861)
Show SMILES OC(=O)[C@@H]1Cc2cccc(OCCCCOc3ccc(c(Cl)c3)C(=O)N1)c2
Show InChI InChI=1S/C20H20ClNO5/c21-17-12-15-6-7-16(17)19(23)22-18(20(24)25)11-13-4-3-5-14(10-13)26-8-1-2-9-27-15/h3-7,10,12,18H,1-2,8-9,11H2,(H,22,23)(H,24,25)/t18-/m0/s1
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n/an/a 114n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19074
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(4-ace...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H29N5O7S/c1-16(30)27-18-9-11-19(12-10-18)37(35,36)29-13-5-8-21(29)22(31)28-20(23(32)33)15-26-24(34)25-14-17-6-3-2-4-7-17/h2-4,6-7,9-12,20-21H,5,8,13-15H2,1H3,(H,27,30)(H,28,31)(H,32,33)(H2,25,26,34)/t20-,21-/m0/s1
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n/an/a 131n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50446823
PNG
(CHEMBL3115054)
Show SMILES OC(=O)[C@@H]1Cc2ccc(OC\C=C\COc3ccc(Cl)c(c3)C(=O)N1)nc2
Show InChI InChI=1S/C19H17ClN2O5/c20-15-5-4-13-10-14(15)18(23)22-16(19(24)25)9-12-3-6-17(21-11-12)27-8-2-1-7-26-13/h1-6,10-11,16H,7-9H2,(H,22,23)(H,24,25)/b2-1+/t16-/m0/s1
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n/an/a 134n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19053
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H26N4O6S/c27-20(19-12-7-13-26(19)33(31,32)17-10-5-2-6-11-17)25-18(21(28)29)15-24-22(30)23-14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,25,27)(H,28,29)(H2,23,24,30)/t18-,19?/m0/s1
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n/an/a 138n/an/an/an/a7.437



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50446843
PNG
(CHEMBL3114863)
Show SMILES OC(=O)[C@@H]1Cc2cccc(OCCCCOc3ccc(Cl)c(c3)C(=O)N1)c2
Show InChI InChI=1S/C20H20ClNO5/c21-17-7-6-15-12-16(17)19(23)22-18(20(24)25)11-13-4-3-5-14(10-13)26-8-1-2-9-27-15/h3-7,10,12,18H,1-2,8-9,11H2,(H,22,23)(H,24,25)/t18-/m0/s1
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n/an/a 142n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19073
PNG
((2S)-2-{[(2S)-1-[(4-aminobenzene)sulfonyl]pyrrolid...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H27N5O6S/c23-16-8-10-17(11-9-16)34(32,33)27-12-4-7-19(27)20(28)26-18(21(29)30)14-25-22(31)24-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19-/m0/s1
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n/an/a 144n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19075
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-({4-[(p...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C29H32N6O7S/c36-26(34-24(27(37)38)19-31-28(39)30-18-20-8-3-1-4-9-20)25-12-7-17-35(25)43(41,42)23-15-13-22(14-16-23)33-29(40)32-21-10-5-2-6-11-21/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,34,36)(H,37,38)(H2,30,31,39)(H2,32,33,40)/t24-,25-/m0/s1
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n/an/a 151n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19060
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES COc1cccc(CNC(=O)NC[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)c1
Show InChI InChI=1S/C23H28N4O7S/c1-34-17-8-5-7-16(13-17)14-24-23(31)25-15-19(22(29)30)26-21(28)20-11-6-12-27(20)35(32,33)18-9-3-2-4-10-18/h2-5,7-10,13,19-20H,6,11-12,14-15H2,1H3,(H,26,28)(H,29,30)(H2,24,25,31)/t19-,20?/m0/s1
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n/an/a 160n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50446846
PNG
(CHEMBL3114860)
Show SMILES OC(=O)[C@@H]1Cc2cccc(OC\C=C\COc3ccc(c(Cl)c3)C(=O)N1)c2
Show InChI InChI=1S/C20H18ClNO5/c21-17-12-15-6-7-16(17)19(23)22-18(20(24)25)11-13-4-3-5-14(10-13)26-8-1-2-9-27-15/h1-7,10,12,18H,8-9,11H2,(H,22,23)(H,24,25)/b2-1+/t18-/m0/s1
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n/an/a 163n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50446805
PNG
(CHEMBL3115073)
Show SMILES OC(=O)[C@@H]1Cc2cn(C\C=C\Cc3ccc(Cl)c(c3)C(=O)N1)cn2
Show InChI InChI=1S/C17H16ClN3O3/c18-14-5-4-11-3-1-2-6-21-9-12(19-10-21)8-15(17(23)24)20-16(22)13(14)7-11/h1-2,4-5,7,9-10,15H,3,6,8H2,(H,20,22)(H,23,24)/b2-1+/t15-/m0/s1
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n/an/a 176n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19068
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-(naphth...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H28N4O6S/c31-24(29-22(25(32)33)17-28-26(34)27-16-18-7-2-1-3-8-18)23-11-6-14-30(23)37(35,36)21-13-12-19-9-4-5-10-20(19)15-21/h1-5,7-10,12-13,15,22-23H,6,11,14,16-17H2,(H,29,31)(H,32,33)(H2,27,28,34)/t22-,23-/m0/s1
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n/an/a 177n/an/an/an/a7.437



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50446839
PNG
(CHEMBL3114867)
Show SMILES OC(=O)[C@@H]1Cc2ccc(OC\C=C\COc3cccc(Cl)c3C(=O)N1)cc2
Show InChI InChI=1S/C20H18ClNO5/c21-15-4-3-5-17-18(15)19(23)22-16(20(24)25)12-13-6-8-14(9-7-13)26-10-1-2-11-27-17/h1-9,16H,10-12H2,(H,22,23)(H,24,25)/b2-1+/t16-/m0/s1
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n/an/a 178n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19055
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES CC(C)(C)NC(=O)NC[C@H](NC(=O)C1CCCN1S(=O)(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H28N4O6S/c1-19(2,3)22-18(27)20-12-14(17(25)26)21-16(24)15-10-7-11-23(15)30(28,29)13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12H2,1-3H3,(H,21,24)(H,25,26)(H2,20,22,27)/t14-,15?/m0/s1
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n/an/a 185n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19052
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES OC(=O)[C@H](CNC(=O)OCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H25N3O7S/c26-20(19-12-7-13-25(19)33(30,31)17-10-5-2-6-11-17)24-18(21(27)28)14-23-22(29)32-15-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,23,29)(H,24,26)(H,27,28)/t18-,19?/m0/s1
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n/an/a 185n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50117069
PNG
((S)-2-(2-Chloro-6-methyl-benzoylamino)-3-[4-(2,6-d...)
Show SMILES Cc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C24H19Cl3N2O4/c1-13-4-2-5-16(25)20(13)22(30)29-19(24(32)33)12-14-8-10-15(11-9-14)28-23(31)21-17(26)6-3-7-18(21)27/h2-11,19H,12H2,1H3,(H,28,31)(H,29,30)(H,32,33)/t19-/m0/s1
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n/an/a 214n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50446844
PNG
(CHEMBL3114862)
Show SMILES OC(=O)[C@@H]1Cc2cccc(OC\C=C\COc3ccc(Cl)c(c3)C(=O)N1)c2
Show InChI InChI=1S/C20H18ClNO5/c21-17-7-6-15-12-16(17)19(23)22-18(20(24)25)11-13-4-3-5-14(10-13)26-8-1-2-9-27-15/h1-7,10,12,18H,8-9,11H2,(H,22,23)(H,24,25)/b2-1+/t18-/m0/s1
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n/an/a 233n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19076
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-{[4-(2-...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C30H33N5O7S/c36-27(18-21-8-3-1-4-9-21)33-23-13-15-24(16-14-23)43(41,42)35-17-7-12-26(35)28(37)34-25(29(38)39)20-32-30(40)31-19-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-26H,7,12,17-20H2,(H,33,36)(H,34,37)(H,38,39)(H2,31,32,40)/t25-,26-/m0/s1
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n/an/a 236n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50446807
PNG
(CHEMBL3115071)
Show SMILES OC(=O)[C@@H]1Cc2cn(CC\C=C\COc3ccc(Cl)c(c3)C(=O)N1)cn2
Show InChI InChI=1S/C18H18ClN3O4/c19-15-5-4-13-9-14(15)17(23)21-16(18(24)25)8-12-10-22(11-20-12)6-2-1-3-7-26-13/h1,3-5,9-11,16H,2,6-8H2,(H,21,23)(H,24,25)/b3-1+/t16-/m0/s1
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n/an/a 270n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19069
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(4-phe...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H30N4O6S/c33-26(31-24(27(34)35)19-30-28(36)29-18-20-8-3-1-4-9-20)25-12-7-17-32(25)39(37,38)23-15-13-22(14-16-23)21-10-5-2-6-11-21/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,31,33)(H,34,35)(H2,29,30,36)/t24-,25-/m0/s1
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n/an/a 287n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19056
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES OC(=O)[C@H](CNC(=O)Nc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H24N4O6S/c26-19(18-12-7-13-25(18)32(30,31)16-10-5-2-6-11-16)24-17(20(27)28)14-22-21(29)23-15-8-3-1-4-9-15/h1-6,8-11,17-18H,7,12-14H2,(H,24,26)(H,27,28)(H2,22,23,29)/t17-,18?/m0/s1
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n/an/a 296n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19054
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES CCCNC(=O)NC[C@H](NC(=O)C1CCCN1S(=O)(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C18H26N4O6S/c1-2-10-19-18(26)20-12-14(17(24)25)21-16(23)15-9-6-11-22(15)29(27,28)13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,21,23)(H,24,25)(H2,19,20,26)/t14-,15?/m0/s1
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n/an/a 357n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50446816
PNG
(CHEMBL3115062)
Show SMILES OC(=O)[C@@H]1Cc2cn(CCCCOc3ccc(Cl)c(c3)C(=O)N1)cn2
Show InChI InChI=1S/C17H18ClN3O4/c18-14-4-3-12-8-13(14)16(22)20-15(17(23)24)7-11-9-21(10-19-11)5-1-2-6-25-12/h3-4,8-10,15H,1-2,5-7H2,(H,20,22)(H,23,24)/t15-/m0/s1
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n/an/a 366n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19050
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES OC(=O)[C@H](CNC(=O)CCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H27N3O6S/c27-21(14-13-17-8-3-1-4-9-17)24-16-19(23(29)30)25-22(28)20-12-7-15-26(20)33(31,32)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,24,27)(H,25,28)(H,29,30)/t19-,20?/m0/s1
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n/an/a 367n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19059
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES COc1ccccc1CNC(=O)NC[C@H](NC(=O)C1CCCN1S(=O)(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H28N4O7S/c1-34-20-12-6-5-8-16(20)14-24-23(31)25-15-18(22(29)30)26-21(28)19-11-7-13-27(19)35(32,33)17-9-3-2-4-10-17/h2-6,8-10,12,18-19H,7,11,13-15H2,1H3,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19?/m0/s1
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n/an/a 467n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50446815
PNG
(CHEMBL3115063)
Show SMILES OC(=O)[C@@H]1Cc2cn(C\C=C\COc3ccc(c(Cl)c3)C(=O)N1)cn2
Show InChI InChI=1S/C17H16ClN3O4/c18-14-8-12-3-4-13(14)16(22)20-15(17(23)24)7-11-9-21(10-19-11)5-1-2-6-25-12/h1-4,8-10,15H,5-7H2,(H,20,22)(H,23,24)/b2-1+/t15-/m0/s1
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n/an/a 470n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50446817
PNG
(CHEMBL3115060)
Show SMILES OC(=O)[C@@H]1Cc2cn(CCCCOc3ccc(Cl)c(c3)C(=O)N1)nn2
Show InChI InChI=1S/C16H17ClN4O4/c17-13-4-3-11-8-12(13)15(22)18-14(16(23)24)7-10-9-21(20-19-10)5-1-2-6-25-11/h3-4,8-9,14H,1-2,5-7H2,(H,18,22)(H,23,24)/t14-/m0/s1
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n/an/a 497n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2/beta1


(Homo sapiens (human))
BDBM50446842
PNG
(CHEMBL3114864)
Show SMILES OC(=O)[C@@H]1Cc2cccc(OC\C=C\COc3cccc(Cl)c3C(=O)N1)c2
Show InChI InChI=1S/C20H18ClNO5/c21-15-7-4-8-17-18(15)19(23)22-16(20(24)25)12-13-5-3-6-14(11-13)26-9-1-2-10-27-17/h1-8,11,16H,9-10,12H2,(H,22,23)(H,24,25)/b2-1+/t16-/m0/s1
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n/an/a 588n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19049
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H23N3O6S/c25-19(15-8-3-1-4-9-15)22-14-17(21(27)28)23-20(26)18-12-7-13-24(18)31(29,30)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2,(H,22,25)(H,23,26)(H,27,28)/t17-,18?/m0/s1
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n/an/a 660n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


Citation and Details
More data for this
Ligand-Target Pair
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